N-[1-(2-azanylethyl)piperidin-4-yl]-4-methyl-1-(1-quinolin-8-ylethyl)benzimidazol-2-amine hydrate

Systemtic Name: N-[1-(2-azanylethyl)piperidin-4-yl]-4-methyl-1-(1-quinolin-8-ylethyl)benzimidazol-2-amine hydrate Openeye Name: N-[1-(2-aminoethyl)-4-piperidyl]-4-methyl-1-[1-(8-quinolyl)ethyl]benzimidazol-2-amine hydrate CAS Name: N-[1-(2-aminoethyl)-4-piperidinyl]-4-methyl-1-[1-(8-quinolinyl)ethyl]-2-benzimidazolamine hydrate IUPAC Name: N-[1-(2-aminoethyl)piperidin-4-yl]-4-methyl-1-(1-quinolin-8-ylethyl)benzimidazol-2-amine hydrate Traditional Name: [1-(2-aminoethyl)-4-piperidyl]-[4-methyl-1-[1-(8-quinolyl)ethyl]benzimidazol-2-yl]amine hydrate Formula: C26H34N6O MolecularWeight: 446.58776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N(C(=N2)NC3CCN(CC3)CCN)C(C)C4=CC=CC5=C4N=CC=C5.O

Isomeric SMILES

CC1=C2C(=CC=C1)N(C(=N2)NC3CCN(CC3)CCN)C(C)C4=CC=CC5=C4N=CC=C5.O

InChI

InChI=1S/C26H32N6.H2O/c1-18-6-3-10-23-24(18)30-26(29-21-11-15-31(16-12-21)17-13-27)32(23)19(2)22-9-4-7-20-8-5-14-28-25(20)22;/h3-10,14,19,21H,11-13,15-17,27H2,1-2H3,(H,29,30);1H2